2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide

C17H26N4O2 — CID 111906815

IUPAC2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC1CCOc2ccccc21
InChIInChI=1S/C17H26N4O2/c1-4-10-18-17(19-12-16(22)21(2)3)20-14-9-11-23-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12H2,1-3H3,(H2,18,19,20)
InChIKeyQRNSIMCUSPMDLE-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.54
Rot. Bonds5

About 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111906815) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111906815
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC1CCOc2ccccc21
InChIInChI=1S/C17H26N4O2/c1-4-10-18-17(19-12-16(22)21(2)3)20-14-9-11-23-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12H2,1-3H3,(H2,18,19,20)
InChIKeyQRNSIMCUSPMDLE-UHFFFAOYSA-N
XLogP1.54
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111316098
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(2-phenoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111885745
2-[[(3-cyclopentylpropylamino)-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907828
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111316150
2-[[[(3-cyclopentyl-3-ethoxypropyl)amino]-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034962
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(1-phenylcyclopentyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907838
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906099
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036895
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[2-[(4-methoxyphenyl)methoxy]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036160
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(1,1-dioxothiolan-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111893926
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111885760
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110046281

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111906815) is 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide is CCCN/C(=N\CC(=O)N(C)C)NC1CCOc2ccccc21.
What is the InChIKey of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is QRNSIMCUSPMDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-10-18-17(19-12-16(22)21(2)3)20-14-9-11-23-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 318.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111906815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).